[4-(4-decoxy-3-fluoranyl-phenyl)-2-fluoranyl-phenyl] 3-octylcyclobutane-1-carboxylate

Systemtic Name: [4-(4-decoxy-3-fluoranyl-phenyl)-2-fluoranyl-phenyl] 3-octylcyclobutane-1-carboxylate Openeye Name: [4-(4-decoxy-3-fluoro-phenyl)-2-fluoro-phenyl] 3-octylcyclobutanecarboxylate CAS Name: 3-octyl-1-cyclobutanecarboxylic acid [4-(4-decoxy-3-fluorophenyl)-2-fluorophenyl] ester IUPAC Name: [4-(4-decoxy-3-fluorophenyl)-2-fluorophenyl] 3-octylcyclobutane-1-carboxylate Traditional Name: 3-octylcyclobutanecarboxylic acid [4-(4-decoxy-3-fluoro-phenyl)-2-fluoro-phenyl] ester Formula: C35H50F2O3 MolecularWeight: 556.766506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3CC(C3)CCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3CC(C3)CCCCCCCC)F)F

InChI

InChI=1S/C35H50F2O3/c1-3-5-7-9-11-12-14-16-22-39-33-20-18-28(25-31(33)36)29-19-21-34(32(37)26-29)40-35(38)30-23-27(24-30)17-15-13-10-8-6-4-2/h18-21,25-27,30H,3-17,22-24H2,1-2H3